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dimethyl 1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylate

dimethyl 1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylate

Systemtic Name:dimethyl 1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylate
Openeye Name:dimethyl 1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylate
CAS Name:1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylic acid dimethyl ester
IUPAC Name:dimethyl 1-[(3-carbamimidoylphenyl)methyl]indole-2,3-dicarboxylate
Traditional Name:1-(3-amidinobenzyl)indole-2,3-dicarboxylic acid dimethyl ester
Formula: C20H19N3O4
MolecularWeight: 365.38256
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=N)N)C(=O)OC


Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=N)N)C(=O)OC


InChI

InChI=1S/C20H19N3O4/c1-26-19(24)16-14-8-3-4-9-15(14)23(17(16)20(25)27-2)11-12-6-5-7-13(10-12)18(21)22/h3-10H,11H2,1-2H3,(H3,21,22)


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